Basic information
- Standard SMILES
O=CNC[C@@H]1c2cc(Cl)ccc2Oc2ccccc2[C@H]1CO- InChIKey
LMVRRIZHOQPRSE-HUUCEWRRSA-N- Molecular formula
- C17H16ClNO3
- Average molar mass
- 317.8 g/mol
- Monoisotopic mass
- 317.0818711
Names & identifiers
- Preferred name
- trans-N-(8-Chloro-11-hydroxymethyl-10,11-dihydro-dibenzo[b,f]oxepin-10-ylmethyl)-formamide
- IUPAC
- N-[[(5S,6S)-3-chloro-6-(hydroxymethyl)-5,6-dihydrobenzo[b][1]benzoxepin-5-yl]methyl]formamide
Names & synonyms
SCHEMBL15206685LMVRRIZHOQPRSE-HUUCEWRRSA-Ntrans-N-(8-Chloro-11-hydroxymethyl-10,11-dihydro-dibenzo[b,f]oxepin-10-ylmethyl)-formamide
Database identifiers
- PubChem CID
- 56652273
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 381
Related reactions
1 records
Compound notes
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